Glycoside
GD123412
Name:
1,8-dihydroxy-6-methoxy-2-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-9H-xanthen-9-oneFormula:
C26H30O15Smiles:
COc1cc(O)c2c(=O)c3c(O)c(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)ccc3oc2c1Aglycone:
COc1cc(O)c2c(=O)c3c(O)c(O)ccc3oc2c1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -1.6 | Num_rotatable_bonds: | 6 |
| MolWt: | 582.51 | Num_heavy_atoms: | 41 |
| TPSA: | 238.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD02811
Formula: C14H10O6
Smiles:
COc1cc(O)c2c(=O)c3c(O)c(O)ccc3oc2c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 1 |
| MolWt: | 274.23 | Num_heavy_atoms: | 20 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
